! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   4.4406219784   2.3287756485   0.5127435387
S    1.0166966143  -1.5570731701  -1.4842902979
O    1.4144905909  -2.9432321290  -1.5416079754
O    0.6591342001  -0.8690772101  -2.7023969888
O    1.9369543570   2.9333622535  -1.0541429935
O    0.2306054914   1.4908696201  -1.0086926354
O    0.7408395124  -2.3097061126   1.3224922362
O   -5.2851511457   0.3798256286   2.9321722560
O   -3.9285289747   0.8076780563  -1.4836497540
N    3.4417562989  -1.1891519739  -0.2103015626
N   -0.2808644697  -1.3855761896  -0.4810035667
N    4.2716234198  -0.2599988111   0.2363968261
N   -1.3185483838  -1.4260579640   1.5942773098
N   -3.2995329130  -0.5361471743   2.2649583804
N   -2.6106423975  -0.3060143277   0.0194162136
C    2.3100475735  -0.6468333261  -0.6894465238
C    2.4166775340   0.7315831211  -0.5578238044
C    3.6769813775   0.8912847489   0.0303863024
C    3.8595151346  -2.5786644226  -0.1133794697
C    1.4061987279   1.7392273106  -0.8982263627
C   -0.2211804599  -1.7470757432   0.8404300539
C   -2.4601384934  -0.7220094422   1.2643670901
C   -4.3997450223   0.1466858222   1.9786215497
C   -3.7214746023   0.3723894631  -0.2536590032
C    1.0449458904   4.0118954075  -1.3484563038
C   -4.6781733074   0.6397242298   0.7097920162
C   -5.0331296467  -0.1086503563   4.2478222286
C   -2.9507321939   0.5443697295  -2.4886863409
H   -1.0711113846  -0.7899628287  -0.7752279256
H    4.0321937708  -3.0018816552  -1.0979375744
H    4.7898737184  -2.5855168545   0.4424145915
H    3.1208268703  -3.1641066445   0.4217132695
H   -1.2528225344  -1.7057772391   2.5641976364
H    0.3254538129   4.1611220526  -0.5442533614
H    1.6691410839   4.8948029264  -1.4425679109
H    0.5153593133   3.8423858083  -2.2851964218
H   -5.5782454529   1.1946864632   0.4901600013
H   -4.9768558648  -1.1964635598   4.2693977458
H   -5.8787525589   0.2168588994   4.8470009324
H   -4.1174247297   0.3087740996   4.6649438193
H   -3.3551962736   0.9604711776  -3.4069390660
H   -2.7922790822  -0.5251552876  -2.6276802789
H   -2.0051485387   1.0361945877  -2.2644632214
*